(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone

C15H16N2OS — CID 65237157

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(N)cccc32)sc1C
InChIInChI=1S/C15H16N2OS/c1-9-8-14(19-10(9)2)15(18)17-7-6-11-12(16)4-3-5-13(11)17/h3-5,8H,6-7,16H2,1-2H3
InChIKeyYTSNEUWHRZSNGH-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.15
Rot. Bonds1

About (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 65237157) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
PubChem CID65237157
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(N)cccc32)sc1C
InChIInChI=1S/C15H16N2OS/c1-9-8-14(19-10(9)2)15(18)17-7-6-11-12(16)4-3-5-13(11)17/h3-5,8H,6-7,16H2,1-2H3
InChIKeyYTSNEUWHRZSNGH-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 80537259
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone
CID 104850612
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
(4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777825
(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721480
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 83212525
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 82706052
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone
CID 107937533

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone (CID 65237157) is (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone is Cc1cc(C(=O)N2CCc3c(N)cccc32)sc1C.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is YTSNEUWHRZSNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-9-8-14(19-10(9)2)15(18)17-7-6-11-12(16)4-3-5-13(11)17/h3-5,8H,6-7,16H2,1-2H3.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 272.37 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 65237157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).